methyl N-[3-[3-[1-(cyclopropylamino)ethyl]-1-propan-2-ylpyrazol-5-yl]propyl]carbamate

C16H28N4O2 — CID 118313484

IUPACmethyl N-[3-[3-[1-(cyclopropylamino)ethyl]-1-propan-2-ylpyrazol-5-yl]propyl]carbamate
SMILESCOC(=O)NCCCc1cc(C(C)NC2CC2)nn1C(C)C
InChIInChI=1S/C16H28N4O2/c1-11(2)20-14(6-5-9-17-16(21)22-4)10-15(19-20)12(3)18-13-7-8-13/h10-13,18H,5-9H2,1-4H3,(H,17,21)
InChIKeyATQMHVHSTMXVKF-UHFFFAOYSA-N
MW308.43 g/mol
LogP2.57
Rot. Bonds8

About methyl N-[3-[3-[1-(cyclopropylamino)ethyl]-1-propan-2-ylpyrazol-5-yl]propyl]carbamate

methyl N-[3-[3-[1-(cyclopropylamino)ethyl]-1-propan-2-ylpyrazol-5-yl]propyl]carbamate (PubChem CID 118313484) has the molecular formula C16H28N4O2 and a molecular weight of 308.43 g/mol. Its IUPAC name is methyl N-[3-[3-[1-(cyclopropylamino)ethyl]-1-propan-2-ylpyrazol-5-yl]propyl]carbamate.

Molecular Properties

Compound Namemethyl N-[3-[3-[1-(cyclopropylamino)ethyl]-1-propan-2-ylpyrazol-5-yl]propyl]carbamate
PubChem CID118313484
Molecular FormulaC16H28N4O2
Molecular Weight308.43 g/mol
Exact Mass308.22
IUPAC Namemethyl N-[3-[3-[1-(cyclopropylamino)ethyl]-1-propan-2-ylpyrazol-5-yl]propyl]carbamate
SMILESCOC(=O)NCCCc1cc(C(C)NC2CC2)nn1C(C)C
InChIInChI=1S/C16H28N4O2/c1-11(2)20-14(6-5-9-17-16(21)22-4)10-15(19-20)12(3)18-13-7-8-13/h10-13,18H,5-9H2,1-4H3,(H,17,21)
InChIKeyATQMHVHSTMXVKF-UHFFFAOYSA-N
XLogP2.57
TPSA68.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.43
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

ethyl (2-(5-cyclopropyl-3-(trifluoromethyl)-1H-pyrazol-1-yl)ethyl)carbamate
CID 71807721
N-((1-cyclopentyl-5-cyclopropyl-1H-pyrazol-3-yl)methyl)propionamide
CID 71808660
ethyl ((5-cyclopropyl-1-methyl-1H-pyrazol-3-yl)methyl)carbamate
CID 71808536
1-((5-cyclopropyl-1-methyl-1H-pyrazol-3-yl)methyl)-3-ethylurea
CID 71808639
tert-butyl N-[[(2R)-1-[2-(3,5-dimethylpyrazol-1-yl)ethyl]pyrrolidin-2-yl]methyl]carbamate
CID 96093069
methyl N-[3-[3-[1-(cyclopropylamino)ethyl]-5-(6-fluorocyclohexa-1,3-dien-1-yl)pyrazol-1-yl]propyl]carbamate
CID 90065271
methyl (2-(5-cyclopropyl-3-(trifluoromethyl)-1H-pyrazol-1-yl)ethyl)carbamate
CID 71807717
tert-butyl N-{2-amino-1-[1-methyl-3-(trifluoromethyl)-1H-pyrazol-5-yl]ethyl}carbamate
CID 165660108
tert-butyl N-{2-amino-3-[1-methyl-3-(trifluoromethyl)-1H-pyrazol-5-yl]propyl}carbamate
CID 165685204
tert-butyl N-{2-amino-2-[1-methyl-3-(trifluoromethyl)-1H-pyrazol-5-yl]ethyl}carbamate
CID 165694326
tert-butyl N-{1-amino-3-[1-methyl-3-(trifluoromethyl)-1H-pyrazol-5-yl]propan-2-yl}carbamate
CID 165832804
2-fluoroethyl N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-ylmethyl)carbamate
CID 167850075

Frequently Asked Questions

What is the IUPAC name of methyl N-[3-[3-[1-(cyclopropylamino)ethyl]-1-propan-2-ylpyrazol-5-yl]propyl]carbamate?
The IUPAC name of methyl N-[3-[3-[1-(cyclopropylamino)ethyl]-1-propan-2-ylpyrazol-5-yl]propyl]carbamate (CID 118313484) is methyl N-[3-[3-[1-(cyclopropylamino)ethyl]-1-propan-2-ylpyrazol-5-yl]propyl]carbamate.
What is the SMILES notation for methyl N-[3-[3-[1-(cyclopropylamino)ethyl]-1-propan-2-ylpyrazol-5-yl]propyl]carbamate?
The canonical SMILES for methyl N-[3-[3-[1-(cyclopropylamino)ethyl]-1-propan-2-ylpyrazol-5-yl]propyl]carbamate is COC(=O)NCCCc1cc(C(C)NC2CC2)nn1C(C)C.
What is the InChIKey of methyl N-[3-[3-[1-(cyclopropylamino)ethyl]-1-propan-2-ylpyrazol-5-yl]propyl]carbamate?
The InChIKey is ATQMHVHSTMXVKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N4O2/c1-11(2)20-14(6-5-9-17-16(21)22-4)10-15(19-20)12(3)18-13-7-8-13/h10-13,18H,5-9H2,1-4H3,(H,17,21).
What are the key properties of methyl N-[3-[3-[1-(cyclopropylamino)ethyl]-1-propan-2-ylpyrazol-5-yl]propyl]carbamate?
methyl N-[3-[3-[1-(cyclopropylamino)ethyl]-1-propan-2-ylpyrazol-5-yl]propyl]carbamate has a molecular weight of 308.43 g/mol, XLogP of 2.57, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[3-[3-[1-(cyclopropylamino)ethyl]-1-propan-2-ylpyrazol-5-yl]propyl]carbamate is sourced from PubChem (CID 118313484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).